5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C13H17NO4 — CID 17394860

IUPAC5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC(C)C)cc2c1OCCO2
InChIInChI=1S/C13H17NO4/c1-8(2)14-13(15)9-6-10(16-3)12-11(7-9)17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyXTDMGNNAGZZXCQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.60
Rot. Bonds3

About 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 17394860) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID17394860
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NC(C)C)cc2c1OCCO2
InChIInChI=1S/C13H17NO4/c1-8(2)14-13(15)9-6-10(16-3)12-11(7-9)17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyXTDMGNNAGZZXCQ-UHFFFAOYSA-N
XLogP1.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
5-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 35235568
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
(2R)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-4-methylpentanoic acid
CID 119364420
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9062541
(2S)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-phenylpropanoic acid
CID 45339783
5-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 38610936
5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9366364
N-(1-cyanocyclopentyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86913663

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 17394860) is 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NC(C)C)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is XTDMGNNAGZZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(2)14-13(15)9-6-10(16-3)12-11(7-9)17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 17394860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).